SCHEMBL18940277

SCHEMBL18940277

CC1(C)OB(c2ccc(F)c(COc3ccc4c(c3)CC3C(C(=O)O)C43)c2F)OC1(C)C

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 5/20 0.42
HPGD P15428 1/20 0.34
S1PR5 Q9H228 3/20 0.32
S1PR1 P21453 2/20 0.32
RORA P35398 1/20 0.31
RORC P51449 1/20 0.31
RORB Q92753 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31
ANO1 Q5XXA6 2/20 0.30
POLB P06746 1/20 0.30
S1PR3 Q99500 1/20 0.30
SCN3A Q9NY46 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL16845971 0.90 FFAR1 (0.34) FFAR1POLB
SCHEMBL29423927 0.90 FFAR1 (0.34) FFAR1POLB
SCHEMBL18940306 0.83 FFAR1 (0.43) FFAR1SCN3A
SCHEMBL18940276 0.83 FFAR1 (0.43) FFAR1SCN3A
SCHEMBL23927778 0.83 FFAR1 (0.43) FFAR1SCN3A
SCHEMBL18940304 0.81 FFAR1 (0.43) FFAR1S1PR5S1PR1
SCHEMBL18940278 0.81 FFAR1 (0.41) FFAR1HPGDFFAR4POLBSCN3A
SCHEMBL23952784 0.80 USP2 (0.30)
SCHEMBL18940280 0.79 FFAR1 (0.44) FFAR1POLB
SCHEMBL18940305 0.79 FFAR1 (0.44) FFAR1POLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082786-B1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME (US) 2021-10-27 EP disclosed
US-9834563-B2 Antidiabetic substituted heteroaryl compounds MERCK SHARP & DOHME CORP. (US) 2017-12-05 US disclosed
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS MERCK SHARP & DOHME LLC 2017-06-15 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20170166578-A1 ANTIDIABETIC SUBSTITUTED HETEROARYL COMPOUNDS GPR119, GPR65, GPR55 FFAR1 13/4885HPGD 2587/4885S1PR5 622/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.